Open AccessTHE LMTO METHOD STUDY OF ELECTRONIC STRUCTURE AND MAGNETISM OF NdFe10Mo2 COMPOUNDS WITH ThMn12 TYPE STRUCTURE
Author(s) -
Qi Shou-Ren,
Huang Xiao-dong,
Yan Zhang,
Xintang Huang,
Can Zhong-Wei,
Rong Xiang
Publication year - 1996
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.45.1396
Subject(s) - magnetic moment , tetragonal crystal system , condensed matter physics , magnetism , electronic structure , materials science , moment (physics) , atom (system on chip) , nuclear magnetic resonance , physics , classical mechanics , quantum mechanics , phase (matter) , computer science , embedded system
In this paper, LMTO method is described briefly. We applied it to calculate the electronic structure of NdFe10Mo2 with interstitial N atom which is related to the tetragonal ThMn12 structure. From the variation of density of states we can obtained the magnetic moment. The function about variation of magnetic moment after nitration is discussed and campared with calculated local magnetic moment. In NdFe10Mo2 compounds with interstitial N atom, the 8j site has its minimal magnetic moment.